Geometry & MOs

Info

ID:	275118
PubChem CID:	103813899
Reduced:	BrON3C14H14 (1)
Stoich.:	ABC3D14E14 (1)
Weight, g/mol:	303.0041
ΔH_f, kcal/mol:	8.59
Dipole, Da:	5.64
IP(EA), eV:	-9.25(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-N-(6-bromopyridin-3-yl)-4-methylsulfanylbutanamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(C(=O)NC2=CN=C(C=C2)Br)N

DOS

IR

Vibrations